Geometry & MOs

Info

ID:	32944
PubChem CID:	7849663
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	364.078073
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	4.65
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

DOS

IR

Vibrations